N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-dimethylpyrimidin-4-amine

C15H17N3O2 — CID 47156644

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(NCc2ccc3c(c2)OCCO3)nc(C)n1
InChIInChI=1S/C15H17N3O2/c1-10-7-15(18-11(2)17-10)16-9-12-3-4-13-14(8-12)20-6-5-19-13/h3-4,7-8H,5-6,9H2,1-2H3,(H,16,17,18)
InChIKeyKTUXGWURBGGKJJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.48
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-dimethylpyrimidin-4-amine

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-dimethylpyrimidin-4-amine (PubChem CID 47156644) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-dimethylpyrimidin-4-amine
PubChem CID47156644
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(NCc2ccc3c(c2)OCCO3)nc(C)n1
InChIInChI=1S/C15H17N3O2/c1-10-7-15(18-11(2)17-10)16-9-12-3-4-13-14(8-12)20-6-5-19-13/h3-4,7-8H,5-6,9H2,1-2H3,(H,16,17,18)
InChIKeyKTUXGWURBGGKJJ-UHFFFAOYSA-N
XLogP2.48
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912254
6-N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112873049
6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-butan-2-yl-2-methylpyrimidine-4,6-diamine
CID 112868249
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 105358167
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-dimethylpyrrol-1-amine
CID 79090148
6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-benzyl-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112872173
2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-tert-butyl-6-methylpyrimidine-2,4-diamine
CID 112918790
4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 47267638
azepan-1-yl-[6-(1,3-benzodioxol-5-ylmethylamino)-2-methylpyrimidin-4-yl]methanone
CID 109370505
6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112873104
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112918678
2,6-dimethyl-N-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrimidin-4-amine
CID 125423856

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-dimethylpyrimidin-4-amine (CID 47156644) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-dimethylpyrimidin-4-amine is Cc1cc(NCc2ccc3c(c2)OCCO3)nc(C)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-dimethylpyrimidin-4-amine?
The InChIKey is KTUXGWURBGGKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-7-15(18-11(2)17-10)16-9-12-3-4-13-14(8-12)20-6-5-19-13/h3-4,7-8H,5-6,9H2,1-2H3,(H,16,17,18).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-dimethylpyrimidin-4-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-dimethylpyrimidin-4-amine has a molecular weight of 271.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 47156644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).